1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea

C16H20N6O — CID 135293192

IUPAC1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
SMILESC/N=C(\N)c1cnc(NC(=O)NC(C)c2ccccc2)cc1N
InChIInChI=1S/C16H20N6O/c1-10(11-6-4-3-5-7-11)21-16(23)22-14-8-13(17)12(9-20-14)15(18)19-2/h3-10H,1-2H3,(H2,18,19)(H4,17,20,21,22,23)
InChIKeyNIUVHZKVKDIMBZ-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.88
Rot. Bonds4

About 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea

1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea (PubChem CID 135293192) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
PubChem CID135293192
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
SMILESC/N=C(\N)c1cnc(NC(=O)NC(C)c2ccccc2)cc1N
InChIInChI=1S/C16H20N6O/c1-10(11-6-4-3-5-7-11)21-16(23)22-14-8-13(17)12(9-20-14)15(18)19-2/h3-10H,1-2H3,(H2,18,19)(H4,17,20,21,22,23)
InChIKeyNIUVHZKVKDIMBZ-UHFFFAOYSA-N
XLogP1.88
TPSA118.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
CID 135293439
1-[amino-[4-amino-6-(1-phenylethylcarbamoylamino)-3-pyridinyl]methylidene]-3-propan-2-ylurea
CID 123235333
1-[4-amino-5-[N'-(3-oxocyclopenten-1-yl)carbamimidoyl]-2-pyridinyl]-3-(1-phenylethyl)urea
CID 123347814
1-[4-amino-5-(N'-ethylcarbamimidoyl)-2-pyridinyl]-3-(1-pyridin-3-ylethyl)urea
CID 135293264
N-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidoyl]-N-methylacetamide
CID 144598905
4-amino-6-[[(1S,2S)-2-hydroxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboxamide
CID 144599383
methyl N-[amino-[4-amino-6-[1-(2-fluorophenyl)ethylcarbamoylamino]-3-pyridinyl]methylidene]carbamate
CID 123585268
1-[4-amino-5-(N'-ethylcarbamimidoyl)-2-pyridinyl]-3-[1-(4-methyl-2-pyridinyl)ethyl]urea
CID 135293279
1-[4-amino-5-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]-2-pyridinyl]-3-[(1S)-2-methoxy-1-phenylethyl]urea
CID 162593837
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
1-[4-amino-5-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidoyl)-2-pyridinyl]-3-[(1R)-1-phenylethyl]urea
CID 144598860
3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
CID 118380886

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea (CID 135293192) is 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea is C/N=C(\N)c1cnc(NC(=O)NC(C)c2ccccc2)cc1N.
What is the InChIKey of 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea?
The InChIKey is NIUVHZKVKDIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10(11-6-4-3-5-7-11)21-16(23)22-14-8-13(17)12(9-20-14)15(18)19-2/h3-10H,1-2H3,(H2,18,19)(H4,17,20,21,22,23).
What are the key properties of 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea?
1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea has a molecular weight of 312.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 135293192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).